| SpectraBase Compound ID | 2YsVINhuupl |
|---|---|
| InChI | InChI=1S/C9H9IO3/c1-6(9(11)12)13-8-4-2-7(10)3-5-8/h2-6H,1H3,(H,11,12) |
| InChIKey | ITUIVIPEOVLCML-UHFFFAOYSA-N |
| Mol Weight | 292.07 g/mol |
| Molecular Formula | C9H9IO3 |
| Exact Mass | 291.959639 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 3Vdu3XNb7uR |
|---|---|
| Name | 2-(p-Iodophenoxy)propionic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 291.959639147 u |
| Formula | C9H9IO3 |
| InChI | InChI=1S/C9H9IO3/c1-6(9(11)12)13-8-4-2-7(10)3-5-8/h2-6H,1H3,(H,11,12) |
| InChIKey | ITUIVIPEOVLCML-UHFFFAOYSA-N |
| Molecular Weight | 292.072 g/mol |
| SMILES | OC(C(OC1=CC=C(C=C1)I)C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.824279 |